SCHEMBL13555149

C=C(NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(=O)O)CC(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)CCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.80

▸	DRD1	P21728	1/20	0.80

▸	PTGS1	P23219	1/20	0.80

▸	PDE4A	P27815	1/20	0.80

▸	KEAP1	Q14145	2/20	0.38

▸	NECTIN4	Q96NY8	8/20	0.37

▸	EPHA2	P29317	3/20	0.37

▸	F11	P03951	1/20	0.36

▸	ESR1	P03372	1/20	0.36

▸	ESR2	Q92731	1/20	0.36

▸	SSTR2	P30874	1/20	0.35

▸	F2	P00734	1/20	0.35

▸	KCNMA1	Q12791	1/20	0.35

▸	KCNMB4	Q86W47	1/20	0.35

▸	KRAS	P01116	1/20	0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL8358323	0.94	CTSL (0.91)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL24625904	0.93	CTSL (0.92)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14446707	0.91	CTSL (0.79)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260169	0.90	CTSL (0.86)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14177511	0.90	CTSL (0.86)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL13014361	0.89	CTSL (0.89)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL13246717	0.89	CTSL (0.86)	CTSLDRD1PTGS1PDE4ANECTIN4
Daptomycin SCHEMBL17351683	0.89	CTSL (1.00)	CTSLDRD1PTGS1PDE4AKEAP1
Daptomycin SCHEMBL21402170	0.89	CTSL (1.00)	CTSLDRD1PTGS1PDE4AKEAP1
Daptomycin SCHEMBL8221760	0.89	CTSL (1.00)	CTSLDRD1PTGS1PDE4AKEAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20120270772-A1	LIPOPEPTIDE COMPOSITIONS AND RELATED METHODS	CUBIST PHARMACEUTICALS, INC. (US)	2012-10-25	—	—	US	disclosed